[gmx-users] -dt option in g_velacc

Jinan Niu njn0516 at 163.com
Mon Aug 8 10:28:30 CEST 2011


Hi, gmx users:
when I used g_velacc to calculate VAF,  I found the minimum of dt could be taken to 0.1 ps, but smaller. If I want to gain more precise results, how can I do?? 


thanks!


--

Sincerely yours 
Dr Ji-Nan Niu 
School of Materials Science and Engineering.
China University of Mining and Technology.
Jiangsu Province, XuZhou 221116
P. R. China
_____________________________________________________
Email: njn0516 at cumt.edu.cn 

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